0 B11R1.91 O=C(O)CCC1=NC=CC=N1 F13615 [0,0,0,0,0,0|2,0,0]=2 1 B11R1.91 O=C(O)CNC1=CN=CC=C1 C75069 [0,0,0,0,0,0|2,0,0]=2 2 B10R1.17 NNCCC1=CC=CC=C1 74134 [1,0,0,0,0,0|2,0,0]=3 3 B12R1.21 O=C(O)CCC1=CN=C(F)C=C1 72627 [0,1,0,0,0,0|1,0,0]=2 4 B12R1.27 COC(=O)\C=C\C1=CC=NC=C1 D75467 [0,1,0,0,0,0|1,0,2]=4 5 B12R1.107 N[C@@H](CC(=O)O)C1=CC=NC=C1 D85212 [0,1,0,0,0,0|1,0,0]=2 6 B12R1.107 N[C@@H](CC(=O)O)C1=NC=CC=C1 D85249 [0,1,0,0,0,0|1,0,0]=2 7 B12R1.125 CC1=C(CCC(=O)O)C=CN=C1 72786 [0,1,0,0,0,0|1,0,0]=2 8 B12R1.125 O=C(O)CCC1=C(Br)C=CC=N1 F30873 [0,1,0,0,0,0|1,0,0]=2 9 B12R1.226 CC1=CC(CCC(=O)O)=NC=C1 71960 [0,1,0,0,0,0|1,0,0]=2 10 B12R1.226 CN(C)CCC1=CC=CC(Br)=C1 F52728 [0,1,0,0,0,0|3,0,0]=4 11 B12R1.226 N=C(N)NCC1=CC=CC(I)=C1 A10378 [0,1,0,0,0,0|3,0,0]=4 12 B12R1.226 O=C(O)COC1=NC=CC(Cl)=C1 W18283 [0,1,0,0,0,0|2,0,0]=3 13 B12R2.22 NC1CC(C2=CC=CC=C2)C1 D96745 [0,0,0,1,0,0|2,0,1]=4 14 B12R2.22 N[C@H]1C[C@@H](C2=CC=CC=C2)C1 38953 [0,0,0,1,0,0|2,0,1]=4 15 B12R2.22 N[C@H]1C[C@@H](C2=CC=CC=C2)C1 D96746 [0,0,0,1,0,0|2,0,1]=4 16 B12R2.24 O=C1CC2=C(CN1)N=CC=C2 87247 [0,0,0,1,0,0|3,0,0]=4 17 B12R2.24 O=C1CCC2=C(C=CC=N2)N1 66147 [0,0,0,1,0,0|2,0,0]=3 18 B10R1.18 O=C(O)CC1=NN=CC=C1 P15950 [0,0,0,0,1,0|2,0,0]=3 19 B11R1.1 O=C\C=C\C1=CC=C(O)C=C1 O10873 [1,1,0,0,0,0|0,0,2]=4 20 B11R1.28 OCCCOC1=CC=NC=C1 W19282 [1,1,0,0,0,0|1,0,1]=4 21 B11R1.40 CC[C@H](N)CC1=CC=CC=C1 Y13611 [1,1,0,0,0,0|1,0,1]=4 22 B11R1.40 CC[C@H](N)CC1=CC=CC=C1 Y13862 [1,1,0,0,0,0|1,0,1]=4 23 B11R1.40 C[C@@H](CO)OC1=CC=CC=C1 98059 [1,1,0,0,0,0|1,0,1]=4 24 B11R1.20 O=C(O)CC1=CN=C(Br)C=C1 AB22208 [0,1,0,0,1,0|1,0,0]=3 25 B11R1.20 O=C(O)CC1=CN=C(Cl)N=C1 D76258 [0,1,0,0,1,0|2,0,0]=4 26 B11R1.36 C[C@@H](O)[C@H](N)C1=CC=CC=C1 Y10854 [0,1,0,0,1,0|1,0,1]=4 27 B11R1.36 C[C@H](O)[C@H](N)C1=CC=CC=C1 N15521 [0,1,0,0,1,0|1,0,1]=4 28 B11R1.36 C[C@H](O)[C@H](N)C1=CC=CC=C1 Y10855 [0,1,0,0,1,0|1,0,1]=4 29 B11R1.36 C[C@H](O)[C@H](N)C1=CC=CC=C1 Y11162 [0,1,0,0,1,0|1,0,1]=4 30 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 D78838 [0,1,0,0,1,0|0,0,0]=2 31 B11R1.86 NC1=CC=CN=C1CC(=O)O D96389 [0,1,0,0,1,0|1,0,0]=3 32 B11R1.86 O=C(O)CC1=C(Cl)C=CC=N1 AT11209 [0,1,0,0,1,0|1,0,0]=3 33 B11R1.157 NC1=CC=CC(CC(=O)O)=N1 F18201 [0,1,0,0,1,0|1,0,0]=3 34 B11R1.35 N[C@@H](CC1=NC=CS1)C(=O)O D85258 [0,1,0,0,1,0|2,0,0]=4 35 B11R1.77 N[C@@H](CC(=O)O)C1=CSC=C1 D85252 [0,1,0,0,1,0|1,0,0]=3 36 B13R1.348 C[C@@H](CC(=O)O)OC1=CC=CC=C1 W19103 [0,1,0,0,0,1|0,0,0]=2 37 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(O)C=C1 Y13617 [0,2,0,0,0,0|0,0,0]=2 38 B13R1.42 O=C(CCBr)OCC1=CC=CC=C1 D72702 [0,2,0,0,0,0|2,0,0]=4 39 B13R1.135 COC(=O)[C@@H](N)CC1=CN=CC=C1 Y13865 [0,2,0,0,0,0|1,0,0]=3 40 B13R1.135 COC(=O)[C@@H](N)CC1=CN=CC=C1 Y14153 [0,2,0,0,0,0|1,0,0]=3 41 B13R1.148 CC1=CC(C[C@H](N)C(=O)O)=CN=C1 Y12875 [0,2,0,0,0,0|1,0,0]=3 42 B13R1.148 CC1=CC(C[C@H](N)C(=O)O)=CN=C1 Y12906 [0,2,0,0,0,0|1,0,0]=3 43 B13R1.148 N[C@@H](CC1=CC(Cl)=CN=C1)C(=O)O Y12876 [0,2,0,0,0,0|1,0,0]=3 44 B13R1.148 N[C@@H](CC1=CC(Cl)=CN=C1)C(=O)O Y12907 [0,2,0,0,0,0|1,0,0]=3 45 B13R1.148 N[C@@H](CC1=CC(F)=CN=C1)C(=O)O Y10843 [0,2,0,0,0,0|1,0,0]=3 46 B13R1.148 N[C@@H](CC1=CC(O)=CC=C1)C(=O)O Y11468 [0,2,0,0,0,0|0,0,0]=2 47 B13R1.202 NC1=C(C[C@H](N)C(=O)O)C=CC=C1 Y12214 [0,2,0,0,0,0|0,0,0]=2 48 B13R1.202 NC1=C(C[C@H](N)C(=O)O)C=CC=C1 Y13935 [0,2,0,0,0,0|0,0,0]=2 49 B13R1.202 N[C@@H](CC1=C(F)C=CC=N1)C(=O)O Y14252 [0,2,0,0,0,0|1,0,0]=3 50 B13R1.202 N[C@@H](CC1=CC=CN=C1Cl)C(=O)O Y13942 [0,2,0,0,0,0|1,0,0]=3 51 B13R1.202 N[C@@H](CC1=CC=CN=C1Cl)C(=O)O Y14211 [0,2,0,0,0,0|1,0,0]=3 52 B13R1.418 NC[C@H](CC1=CC=CC=C1)C(=O)O 32287 [0,2,0,0,0,0|0,0,0]=2 53 B13R1.418 NC[C@H](CC1=CC=CC=C1)C(=O)O 50826 [0,2,0,0,0,0|0,0,0]=2 54 B13R1.418 NC[C@H](CC1=CC=CC=C1)C(=O)O F15185 [0,2,0,0,0,0|0,0,0]=2 55 B13R1.201 N[C@@H](CC(=O)O)C1=C(O)C=CC=C1 Y13612 [0,2,0,0,0,0|0,0,0]=2 56 B13R1.201 N[C@@H](CC(=O)O)C1=C(O)C=CC=C1 Y13656 [0,2,0,0,0,0|0,0,0]=2 57 B13R1.713 NC[C@H](CC(=O)O)C1=CC=CC=C1 C75482 [0,2,0,0,0,0|0,0,0]=2 58 B13R1.643 COC1=NC=CC(CCC(=O)O)=C1 72053 [0,2,0,0,0,0|1,0,0]=3 59 B11R2.1 C[C@H]1CCC2=C1C=CC=C2 A12834 [1,0,0,1,0,0|1,0,1]=4 60 B11R2.1 O=C1CCC2=C1C=NC=C2 D86734 [1,0,0,1,0,0|1,0,0]=3 61 B11R2.1 O[C@H]1CCC2=C1C=CC=C2 D72211 [1,0,0,1,0,0|0,0,1]=3 62 B11R2.4 N[C@H]1C[C@H]1C2=CC=CC=C2 P19281 [1,0,0,1,0,0|1,0,1]=4 63 B11R2.239 C1=CC=C(C2CNC2)C=C1 P11102 [1,0,0,1,0,0|2,0,0]=4 64 B13R2.10 O=C1C[C@H](C2=CC=CC=C2)CN1 65712 [0,0,0,1,0,1|1,0,0]=3 65 B13R2.163 O=C1CCCC2=C(C=CC=C2)O1 D83922 [0,0,0,1,0,1|0,0,0]=2 66 B13R2.423 O=C(O)[C@@H]1C[C@@H]1C2=CC=CC=C2 F52068 [0,0,0,1,0,1|0,0,0]=2 67 B13R2.423 O=C(O)[C@@H]1C[C@@H]1C2=CN=CC=C2 P20201 [0,0,0,1,0,1|1,0,0]=3 68 B13R2.423 O=C(O)[C@H]1C[C@@H]1C2=CN=CC=C2 C91236 [0,0,0,1,0,1|1,0,0]=3 69 B13R2.32 NC1C2=C(C=CC=C2)CCC1O D84305 [0,1,0,1,0,0|1,0,1]=4 70 B13R2.57 O=C[C@@H]1CCC2=C(C=CC=C2)O1 50359 [0,1,0,1,0,0|0,0,1]=3 71 B13R2.15272 COC(=O)C1=CC2=C1C=CC=C2 C74803 [0,1,0,1,0,0|0,0,2]=4 72 B13R2.435 O=C(O)C1=NC2=C(C=CC=C2)O1 20909 [0,1,0,1,0,0|1,0,1]=4 73 B13R2.328 O=C1C=C(Br)C2=C(C=CC=C2)O1 E70006 [0,1,0,1,0,0|0,0,2]=4 74 B13R2.5179 CC1=CC=CC2=C1CCC(=O)C2 H10281 [0,1,0,1,0,0|1,0,0]=3 75 B13R2.5179 O=C1CCC2=C(F)C=CC=C2C1 Y11718 [0,1,0,1,0,0|1,0,0]=3 76 B9R1.13 O=C(O)CC1=CN=CO1 AC2863 [0,0,0,0,2,0|2,0,0]=4 77 B9R1.13 O=C(O)CC1=COC=C1 D96340 [0,0,0,0,2,0|1,0,0]=3 78 B13R1.337 O=C(O)CCCCC1=CC=NC=C1 AT26198 [0,0,0,0,0,2|1,0,0]=3